CID 158331002

1-{7-methylbicyclo[4.2.0]octa-1,3,5-trien-7-yl}methanaminehydrochloride

Structural Information

Molecular Formula
C10H13N
SMILES
CC1(CC2=CC=CC=C21)CN
InChI
InChI=1S/C10H13N/c1-10(7-11)6-8-4-2-3-5-9(8)10/h2-5H,6-7,11H2,1H3
InChIKey
GPZWTJGDFOXVHH-UHFFFAOYSA-N
Compound name
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 131.2
[M+Na]+ 170.09402 138.9
[M-H]- 146.09752 135.8
[M+NH4]+ 165.13862 149.0
[M+K]+ 186.06796 139.1
[M+H-H2O]+ 130.10206 121.6
[M+HCOO]- 192.10300 153.9
[M+CH3COO]- 206.11865 182.2
[M+Na-2H]- 168.07947 139.6
[M]+ 147.10425 138.9
[M]- 147.10535 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.